1-Isopropylpiperazine
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Basic information
- CAS
4318-42-7- Standard SMILES
CC(C)N1CCNCC1- InChIKey
WHKWMTXTYKVFLK-UHFFFAOYSA-N- Molecular formula
- C7H16N2
- Average molar mass
- 128.22 g/mol
- Monoisotopic mass
- 128.13134852
Names & identifiers
- Preferred name
- 1-Isopropylpiperazine
- IUPAC
- 1-propan-2-ylpiperazine
- English name
- 1-Isopropylpiperazine
- Molecular formula
- C7H16N2
- Molecular weight
- 128.22
Names & synonyms
1-IsopropylpiperazineisopropylpiperazineRefChem:433380224-345-34318-42-7N-Isopropylpiperazine1-(propan-2-yl)piperazine1-propan-2-ylpiperazine137186-14-21-Isopropyl-piperazineIsopropyl piperazinePiperazine, 1-isopropyl-
Show more names
IFLAB-BB F1929-1669TIMTEC-BB SBB004236RARECHEM AH CK 01831-IsopropylpyrazineN-Isopropypiperazine1-isopropyl-piperazin1-(2-PROPYL)PIPERAZINE
n-isopropyl piperazinePiperazine, 1-(1-methylethyl)-1-(1-Methylethyl)piperazineMFCD00167971(1-Isopropyl)piperazine1-(isopropyl)piperazine(methylethyl)piperazineBRN 0103377
Database identifiers
- CAS
4318-42-7- PubChem CID
- 78013
- DTXSID
DTXSID40195762- ChEMBL
CHEMBL1740581- EC Number
- 224-345-3
- Nikkaji
- J35.450C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75
Physicochemical properties
- Boiling point
- 180 · 180-181 °C (lit.)
- Density
- 0 · 0,896 g/cm3
- bulk density
- 0.896 g/mL · 0.896g/mL
- refractive index
- 20 · n20/D 1.4710(lit.)
- Flash point
- 130 °F · 130 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid
- pka
- 9.23 · 9.23±0.10(Predicted)
- Specific Gravity
- 0.896 · 0.896
- color
- Clear pale yellow
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
- InChIKey
- WHKWMTXTYKVFLK-UHFFFAOYSA-N
- SMILES
- N1(C(C)C)CCNCC1
- CAS DataBase Reference
- 4318 · 4318-42-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (89.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (89.4%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (89.4%)；STOT SE 3 (89.4%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- TM0860000
- ridadr
- UN 1992 3/PG 3
- hs_code
Chemistry & industry
Applications
Uses1-Isopropylpiperazine is used as pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Related reactions
397 records
Compound notes
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